Institute of Experimental Mineralogy
Russian Academy of Sciences
-------------------------------------------------
142432, Chernogolovka, Moscow district
A.V. Chichagov +7(496)52-22320
***
*** W W W - X R A Y P O L ***
***********************
BOGGSITE
1, analogue, DF, ZL
SiO(2).0.14H(2)O
Orthorhombic I mma Z = 96
Imma
19 .11 .1999
Ref.Str.:
Pluth J.J., Smith J.V. (1990)
* Amer. Mineral., 75, 501-507
Reserv:
See U(ij) in the original. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 20.236 alpha = 90.0
b = 23.798 beta = 90.0
c = 12.798 gamma = 90.0
Unit cell volume (cub. angs.) = 6163.21
Molar volume ( cub.cm/mol.) = 38.67
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.1888 0.1855 0.6719 0.0 Si = 1.00
2 0.1901 0.0241 0.3297 0.0 Si = 1.00
3 0.0769 0.1852 0.8357 0.0 Si = 1.00
4 0.0777 0.0221 0.1643 0.0 Si = 1.00
5 0.2211 0.083 0.5378 0.0 Si = 1.00
6 0.1227 0.0837 0.9656 0.0 Si = 1.00
7 0.1882 0.25 0.6291 0.0 O = 1.00
8 0.1194 0.1707 0.7322 0.0 O = 1.00
9 0.195 0.1456 0.5679 0.0 O = 1.00
10 0.19 0.0702 0.4236 0.0 O = 1.00
11 0.1194 0.0319 0.2722 0.0 O = 1.00
12 0.0893 0.25 0.8731 0.0 O = 1.00
13 0.0 0.1738 0.8043 0.0 O = 1.00
14 0.0 0.0263 0.1968 0.0 O = 1.00
15 0.1944 0.0379 0.6204 0.0 O = 1.00
16 0.0978 0.1464 0.9327 0.0 O = 1.00
17 0.0959 0.0725 0.0813 0.0 O = 1.00
18 0.2007 0.08 0.9682 0.0 O = 1.00
19 0.0949 0.0395 0.8847 0.0 O = 1.00
20 0.25 0.1755 0.75 0.0 O = 1.00
21 0.25 0.9625 0.75 0.0 O = 1.00
22 0.0 0.1735 0.136 0.0 H(2)O = 0.23, H(2)O = 0.0
23 0.1936 0.017 0.203 0.0 H(2)O = 0.09, H(2)O = 0.0
24 0.193 0.25 0.057 0.0 H(2)O = 0.12, H(2)O = 0.0
25 0.1074 0.1754 0.372 0.0 H(2)O = 0.06, H(2)O = 0.0
26 0.0 0.175 0.57 0.0 H(2)O = 0.4 , H(2)O = 0.0
27 0.0 0.0284 0.429 0.0 H(2)O = 0.12, H(2)O = 0.0
28 0.0562 0.1147 0.41 0.0 H(2)O = 0.04, H(2)O = 0.0
29 0.0431 0.0812 0.626 0.0 H(2)O = 0.05, H(2)O = 0.0
30 0.149 0.25 0.237 0.0 H(2)O = 0.03, H(2)O = 0.0
31 0.106 0.25 0.086 0.0 H(2)O = 0.08, H(2)O = 0.0
32 0.206 0.25 0.401 0.0 H(2)O = 0.17, H(2)O = 0.0
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.1888 0.1855 0.6719
2 2 0.1901 0.0241 0.3297
3 3 0.0769 0.1852 0.8357
4 4 0.0777 0.0221 0.1643
5 5 0.2211 0.083 0.5378
6 6 0.1227 0.0837 0.9656
7 7 0.1882 0.25 0.6291
8 8 0.1194 0.1707 0.7322
9 9 0.195 0.1456 0.5679
10 10 0.19 0.0702 0.4236
11 11 0.1194 0.0319 0.2722
12 12 0.0893 0.25 0.8731
13 13 0.0 0.1738 0.8043
14 14 0.0 0.0263 0.1968
15 15 0.1944 0.0379 0.6204
16 16 0.0978 0.1464 0.9327
17 17 0.0959 0.0725 0.0813
18 18 0.2007 0.08 0.9682
19 19 0.0949 0.0395 0.8847
20 20 0.25 0.1755 0.75
21 21 0.25 0.9625 0.75
22 22 0.0 0.1735 0.136
23 23 0.1936 0.017 0.203
24 24 0.193 0.25 0.057
25 25 0.1074 0.1754 0.372
26 26 0.0 0.175 0.57
27 27 0.0 0.0284 0.429
28 28 0.0562 0.1147 0.41
29 29 0.0431 0.0812 0.626
30 30 0.149 0.25 0.237
31 31 0.106 0.25 0.086
32 32 0.206 0.25 0.401
33 1 0.3112 0.8145 0.1719
34 2 0.3099 0.9759 0.8297
35 3 0.4231 0.8148 0.3357
36 4 0.4223 0.9779 0.6643
37 5 0.2789 0.917 0.0378
38 6 0.3773 0.9163 0.4656
39 7 0.3118 0.75 0.1291
40 8 0.3806 0.8293 0.2322
41 9 0.305 0.8544 0.0679
42 10 0.31 0.9298 0.9236
43 11 0.3806 0.9681 0.7722
44 12 0.4107 0.75 0.3731
45 13 0.5 0.8262 0.3043
46 14 0.5 0.9737 0.6968
47 15 0.3056 0.9621 0.1204
48 16 0.4022 0.8536 0.4327
49 17 0.4041 0.9275 0.5813
50 18 0.2993 0.92 0.4682
51 19 0.4051 0.9605 0.3847
52 20 0.25 0.8245 0.25
53 21 0.25 0.0375 0.25
54 22 0.5 0.8265 0.636
55 23 0.3064 0.983 0.703
56 24 0.307 0.75 0.557
57 25 0.3926 0.8246 0.872
58 26 0.5 0.825 0.07
59 27 0.5 0.9716 0.929
60 28 0.4438 0.8853 0.91
61 29 0.4569 0.9188 0.126
62 30 0.351 0.75 0.737
63 31 0.394 0.75 0.586
64 32 0.294 0.75 0.901
65 1 0.8112 0.1855 0.6719
66 2 0.8099 0.0241 0.3297
67 3 0.9231 0.1852 0.8357
68 4 0.9223 0.0221 0.1643
69 5 0.7789 0.083 0.5378
70 6 0.8773 0.0837 0.9656
71 7 0.8118 0.25 0.6291
72 8 0.8806 0.1707 0.7322
73 9 0.805 0.1456 0.5679
74 10 0.81 0.0702 0.4236
75 11 0.8806 0.0319 0.2722
76 12 0.9107 0.25 0.8731
77 15 0.8056 0.0379 0.6204
78 16 0.9022 0.1464 0.9327
79 17 0.9041 0.0725 0.0813
80 18 0.7993 0.08 0.9682
81 19 0.9051 0.0395 0.8847
82 20 0.75 0.1755 0.75
83 21 0.75 0.9625 0.75
84 23 0.8064 0.017 0.203
85 24 0.807 0.25 0.057
86 25 0.8926 0.1754 0.372
87 28 0.9438 0.1147 0.41
88 29 0.9569 0.0812 0.626
89 30 0.851 0.25 0.237
90 31 0.894 0.25 0.086
91 32 0.794 0.25 0.401
92 1 0.6888 0.8145 0.1719
93 2 0.6901 0.9759 0.8297
94 3 0.5769 0.8148 0.3357
95 4 0.5777 0.9779 0.6643
96 5 0.7211 0.917 0.0378
97 6 0.6227 0.9163 0.4656
98 7 0.6882 0.75 0.1291
99 8 0.6194 0.8293 0.2322
100 9 0.695 0.8544 0.0679
101 10 0.69 0.9298 0.9236
102 11 0.6194 0.9681 0.7722
103 12 0.5893 0.75 0.3731
104 15 0.6944 0.9621 0.1204
105 16 0.5978 0.8536 0.4327
106 17 0.5959 0.9275 0.5813
107 18 0.7007 0.92 0.4682
108 19 0.5949 0.9605 0.3847
109 20 0.75 0.8245 0.25
110 21 0.75 0.0375 0.25
111 23 0.6936 0.983 0.703
112 24 0.693 0.75 0.557
113 25 0.6074 0.8246 0.872
114 28 0.5562 0.8853 0.91
115 29 0.5431 0.9188 0.126
116 30 0.649 0.75 0.737
117 31 0.606 0.75 0.586
118 32 0.706 0.75 0.901
119 1 0.6888 0.1855 0.8281
120 2 0.6901 0.0241 0.1703
121 3 0.5769 0.1852 0.6643
122 4 0.5777 0.0221 0.3357
123 5 0.7211 0.083 0.9622
124 6 0.6227 0.0837 0.5344
125 7 0.6882 0.25 0.8709
126 8 0.6194 0.1707 0.7678
127 9 0.695 0.1456 0.9321
128 10 0.69 0.0702 0.0764
129 11 0.6194 0.0319 0.2278
130 12 0.5893 0.25 0.6269
131 13 0.5 0.1738 0.6957
132 14 0.5 0.0263 0.3032
133 15 0.6944 0.0379 0.8796
134 16 0.5978 0.1464 0.5673
135 17 0.5959 0.0725 0.4187
136 18 0.7007 0.08 0.5318
137 19 0.5949 0.0395 0.6153
138 22 0.5 0.1735 0.364
139 23 0.6936 0.017 0.297
140 24 0.693 0.25 0.443
141 25 0.6074 0.1754 0.128
142 26 0.5 0.175 0.93
143 27 0.5 0.0284 0.071
144 28 0.5562 0.1147 0.09
145 29 0.5431 0.0812 0.874
146 30 0.649 0.25 0.263
147 31 0.606 0.25 0.414
148 32 0.706 0.25 0.099
149 1 0.8112 0.8145 0.3281
150 2 0.8099 0.9759 0.6703
151 3 0.9231 0.8148 0.1643
152 4 0.9223 0.9779 0.8357
153 5 0.7789 0.917 0.4622
154 6 0.8773 0.9163 0.0344
155 7 0.8118 0.75 0.3709
156 8 0.8806 0.8293 0.2678
157 9 0.805 0.8544 0.4321
158 10 0.81 0.9298 0.5764
159 11 0.8806 0.9681 0.7278
160 12 0.9107 0.75 0.1269
161 13 0.0 0.8262 0.1957
162 14 0.0 0.9737 0.8032
163 15 0.8056 0.9621 0.3796
164 16 0.9022 0.8536 0.0673
165 17 0.9041 0.9275 0.9187
166 18 0.7993 0.92 0.0318
167 19 0.9051 0.9605 0.1153
168 22 0.0 0.8265 0.864
169 23 0.8064 0.983 0.797
170 24 0.807 0.75 0.943
171 25 0.8926 0.8246 0.628
172 26 0.0 0.825 0.43
173 27 0.0 0.9716 0.571
174 28 0.9438 0.8853 0.59
175 29 0.9569 0.9188 0.374
176 30 0.851 0.75 0.763
177 31 0.894 0.75 0.914
178 32 0.794 0.75 0.599
179 1 0.3112 0.1855 0.8281
180 2 0.3099 0.0241 0.1703
181 3 0.4231 0.1852 0.6643
182 4 0.4223 0.0221 0.3357
183 5 0.2789 0.083 0.9622
184 6 0.3773 0.0837 0.5344
185 7 0.3118 0.25 0.8709
186 8 0.3806 0.1707 0.7678
187 9 0.305 0.1456 0.9321
188 10 0.31 0.0702 0.0764
189 11 0.3806 0.0319 0.2278
190 12 0.4107 0.25 0.6269
191 15 0.3056 0.0379 0.8796
192 16 0.4022 0.1464 0.5673
193 17 0.4041 0.0725 0.4187
194 18 0.2993 0.08 0.5318
195 19 0.4051 0.0395 0.6153
196 23 0.3064 0.017 0.297
197 24 0.307 0.25 0.443
198 25 0.3926 0.1754 0.128
199 28 0.4438 0.1147 0.09
200 29 0.4569 0.0812 0.874
201 30 0.351 0.25 0.263
202 31 0.394 0.25 0.414
203 32 0.294 0.25 0.099
204 1 0.1888 0.8145 0.3281
205 2 0.1901 0.9759 0.6703
206 3 0.0769 0.8148 0.1643
207 4 0.0777 0.9779 0.8357
208 5 0.2211 0.917 0.4622
209 6 0.1227 0.9163 0.0344
210 7 0.1882 0.75 0.3709
211 8 0.1194 0.8293 0.2678
212 9 0.195 0.8544 0.4321
213 10 0.19 0.9298 0.5764
214 11 0.1194 0.9681 0.7278
215 12 0.0893 0.75 0.1269
216 15 0.1944 0.9621 0.3796
217 16 0.0978 0.8536 0.0673
218 17 0.0959 0.9275 0.9187
219 18 0.2007 0.92 0.0318
220 19 0.0949 0.9605 0.1153
221 23 0.1936 0.983 0.797
222 24 0.193 0.75 0.943
223 25 0.1074 0.8246 0.628
224 28 0.0562 0.8853 0.59
225 29 0.0431 0.9188 0.374
226 30 0.149 0.75 0.763
227 31 0.106 0.75 0.914
228 32 0.206 0.75 0.599
229 1 0.8112 0.3145 0.6719
230 2 0.8099 0.4759 0.3297
231 3 0.9231 0.3148 0.8357
232 4 0.9223 0.4779 0.1643
233 5 0.7789 0.417 0.5378
234 6 0.8773 0.4163 0.9656
235 8 0.8806 0.3293 0.7322
236 9 0.805 0.3544 0.5679
237 10 0.81 0.4298 0.4236
238 11 0.8806 0.4681 0.2722
239 13 0.0 0.3262 0.8043
240 14 0.0 0.4737 0.1968
241 15 0.8056 0.4621 0.6204
242 16 0.9022 0.3536 0.9327
243 17 0.9041 0.4275 0.0813
244 18 0.7993 0.42 0.9682
245 19 0.9051 0.4605 0.8847
246 20 0.75 0.3245 0.75
247 21 0.75 0.5375 0.75
248 22 0.0 0.3265 0.136
249 23 0.8064 0.483 0.203
250 25 0.8926 0.3246 0.372
251 26 0.0 0.325 0.57
252 27 0.0 0.4716 0.429
253 28 0.9438 0.3853 0.41
254 29 0.9569 0.4188 0.626
255 1 0.6888 0.6855 0.1719
256 2 0.6901 0.5241 0.8297
257 3 0.5769 0.6852 0.3357
258 4 0.5777 0.5221 0.6643
259 5 0.7211 0.583 0.0378
260 6 0.6227 0.5837 0.4656
261 8 0.6194 0.6707 0.2322
262 9 0.695 0.6456 0.0679
263 10 0.69 0.5702 0.9236
264 11 0.6194 0.5319 0.7722
265 13 0.5 0.6738 0.3043
266 14 0.5 0.5263 0.6968
267 15 0.6944 0.5379 0.1204
268 16 0.5978 0.6464 0.4327
269 17 0.5959 0.5725 0.5813
270 18 0.7007 0.58 0.4682
271 19 0.5949 0.5395 0.3847
272 20 0.75 0.6755 0.25
273 21 0.75 0.4625 0.25
274 22 0.5 0.6735 0.636
275 23 0.6936 0.517 0.703
276 25 0.6074 0.6754 0.872
277 26 0.5 0.675 0.07
278 27 0.5 0.5284 0.929
279 28 0.5562 0.6147 0.91
280 29 0.5431 0.5812 0.126
281 1 0.1888 0.3145 0.6719
282 2 0.1901 0.4759 0.3297
283 3 0.0769 0.3148 0.8357
284 4 0.0777 0.4779 0.1643
285 5 0.2211 0.417 0.5378
286 6 0.1227 0.4163 0.9656
287 8 0.1194 0.3293 0.7322
288 9 0.195 0.3544 0.5679
289 10 0.19 0.4298 0.4236
290 11 0.1194 0.4681 0.2722
291 15 0.1944 0.4621 0.6204
292 16 0.0978 0.3536 0.9327
293 17 0.0959 0.4275 0.0813
294 18 0.2007 0.42 0.9682
295 19 0.0949 0.4605 0.8847
296 20 0.25 0.3245 0.75
297 21 0.25 0.5375 0.75
298 23 0.1936 0.483 0.203
299 25 0.1074 0.3246 0.372
300 28 0.0562 0.3853 0.41
301 29 0.0431 0.4188 0.626
302 1 0.3112 0.6855 0.1719
303 2 0.3099 0.5241 0.8297
304 3 0.4231 0.6852 0.3357
305 4 0.4223 0.5221 0.6643
306 5 0.2789 0.583 0.0378
307 6 0.3773 0.5837 0.4656
308 8 0.3806 0.6707 0.2322
309 9 0.305 0.6456 0.0679
310 10 0.31 0.5702 0.9236
311 11 0.3806 0.5319 0.7722
312 15 0.3056 0.5379 0.1204
313 16 0.4022 0.6464 0.4327
314 17 0.4041 0.5725 0.5813
315 18 0.2993 0.58 0.4682
316 19 0.4051 0.5395 0.3847
317 20 0.25 0.6755 0.25
318 21 0.25 0.4625 0.25
319 23 0.3064 0.517 0.703
320 25 0.3926 0.6754 0.872
321 28 0.4438 0.6147 0.91
322 29 0.4569 0.5812 0.126
323 1 0.3112 0.3145 0.8281
324 2 0.3099 0.4759 0.1703
325 3 0.4231 0.3148 0.6643
326 4 0.4223 0.4779 0.3357
327 5 0.2789 0.417 0.9622
328 6 0.3773 0.4163 0.5344
329 8 0.3806 0.3293 0.7678
330 9 0.305 0.3544 0.9321
331 10 0.31 0.4298 0.0764
332 11 0.3806 0.4681 0.2278
333 13 0.5 0.3262 0.6957
334 14 0.5 0.4737 0.3032
335 15 0.3056 0.4621 0.8796
336 16 0.4022 0.3536 0.5673
337 17 0.4041 0.4275 0.4187
338 18 0.2993 0.42 0.5318
339 19 0.4051 0.4605 0.6153
340 22 0.5 0.3265 0.364
341 23 0.3064 0.483 0.297
342 25 0.3926 0.3246 0.128
343 26 0.5 0.325 0.93
344 27 0.5 0.4716 0.071
345 28 0.4438 0.3853 0.09
346 29 0.4569 0.4188 0.874
347 1 0.1888 0.6855 0.3281
348 2 0.1901 0.5241 0.6703
349 3 0.0769 0.6852 0.1643
350 4 0.0777 0.5221 0.8357
351 5 0.2211 0.583 0.4622
352 6 0.1227 0.5837 0.0344
353 8 0.1194 0.6707 0.2678
354 9 0.195 0.6456 0.4321
355 10 0.19 0.5702 0.5764
356 11 0.1194 0.5319 0.7278
357 13 0.0 0.6738 0.1957
358 14 0.0 0.5263 0.8032
359 15 0.1944 0.5379 0.3796
360 16 0.0978 0.6464 0.0673
361 17 0.0959 0.5725 0.9187
362 18 0.2007 0.58 0.0318
363 19 0.0949 0.5395 0.1153
364 22 0.0 0.6735 0.864
365 23 0.1936 0.517 0.797
366 25 0.1074 0.6754 0.628
367 26 0.0 0.675 0.43
368 27 0.0 0.5284 0.571
369 28 0.0562 0.6147 0.59
370 29 0.0431 0.5812 0.374
371 1 0.6888 0.3145 0.8281
372 2 0.6901 0.4759 0.1703
373 3 0.5769 0.3148 0.6643
374 4 0.5777 0.4779 0.3357
375 5 0.7211 0.417 0.9622
376 6 0.6227 0.4163 0.5344
377 8 0.6194 0.3293 0.7678
378 9 0.695 0.3544 0.9321
379 10 0.69 0.4298 0.0764
380 11 0.6194 0.4681 0.2278
381 15 0.6944 0.4621 0.8796
382 16 0.5978 0.3536 0.5673
383 17 0.5959 0.4275 0.4187
384 18 0.7007 0.42 0.5318
385 19 0.5949 0.4605 0.6153
386 23 0.6936 0.483 0.297
387 25 0.6074 0.3246 0.128
388 28 0.5562 0.3853 0.09
389 29 0.5431 0.4188 0.874
390 1 0.8112 0.6855 0.3281
391 2 0.8099 0.5241 0.6703
392 3 0.9231 0.6852 0.1643
393 4 0.9223 0.5221 0.8357
394 5 0.7789 0.583 0.4622
395 6 0.8773 0.5837 0.0344
396 8 0.8806 0.6707 0.2678
397 9 0.805 0.6456 0.4321
398 10 0.81 0.5702 0.5764
399 11 0.8806 0.5319 0.7278
400 15 0.8056 0.5379 0.3796
401 16 0.9022 0.6464 0.0673
402 17 0.9041 0.5725 0.9187
403 18 0.7993 0.58 0.0318
404 19 0.9051 0.5395 0.1153
405 23 0.8064 0.517 0.797
406 25 0.8926 0.6754 0.628
407 28 0.9438 0.6147 0.59
408 29 0.9569 0.5812 0.374
X-ray density (g/cm cub.) = 1.62
MU (1/cm) = 54.251 Mass attenuation coefficient (cm**2/g) = 33.553
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Si 2.268 4
1.6298 7
1.6409 8
1.6398 9
1.609 20
2 Si 2.268 5
1.6277 10
1.6189 11
1.6318 23
1.6167 21
1.6095 15
3 Si 2.268 4
1.6165 8
1.6348 12
1.6296 13
1.6036 16
4 Si 2.268 4
1.6352 11
1.6291 14
1.644 17
1.6321 19
5 Si 2.268 4
1.6267 9
1.62 10
1.6003 15
1.5863 18
6 Si 2.268 4
1.63 16
1.5993 17
1.5812 18
1.5797 19
7 O 3.432 8
2.6909 8
2.6087 9
2.6648 20
2.9414 32
3.3841 24
2.6909 8
2.6087 9
2.6648 20
8 O 3.432 8
2.6909 7
2.6681 9
2.6803 12
2.5874 13
2.6664 16
2.6551 20
3.1871 26
2.961 29
9 O 3.432 8
2.6087 7
2.6681 8
2.5769 10
2.6497 15
2.6789 20
3.1513 25
3.284 32
2.6656 18
10 O 3.432 10
2.5769 9
2.5741 11
2.6348 15
3.0949 23
3.0818 25
2.9125 28
2.6487 21
2.6199 18
3.1266 23
2.635 15
11 O 3.432 10
2.5741 10
2.6052 14
2.6699 17
1.7789 23
3.1419 27
2.9374 28
2.6614 21
2.6367 15
2.6768 19
3.3654 29
12 O 3.432 8
2.6803 8
2.7073 13
2.5865 16
3.1532 24
2.7456 31
2.7073 13
2.6803 8
2.5865 16
13 O 3.432 9
2.5874 8
2.7073 12
2.6537 16
2.9987 26
3.29 29
2.5874 8
2.7073 12
2.6537 16
3.29 29
14 O 3.432 7
2.6052 11
2.6758 17
2.9721 27
2.6052 11
2.6758 17
2.6885 19
2.6885 19
15 O 3.432 9
2.6497 9
2.6348 10
2.6901 21
3.2313 29
2.8217 23
2.6068 18
2.635 10
2.6367 11
2.6108 23
16 O 3.432 8
2.6664 8
2.5865 12
2.6537 13
2.5906 17
2.6532 18
2.6178 19
3.332 22
3.1552 31
17 O 3.432 8
2.6699 11
2.6758 14
2.5906 16
2.5738 18
2.6359 19
3.1676 22
2.8423 23
2.7007 19
18 O 3.432 8
2.6532 16
2.5738 17
2.5797 19
3.3612 23
2.6656 9
2.6199 10
2.6068 15
3.1861 23
19 O 3.432 7
2.6178 16
2.6359 17
2.5797 18
2.6885 14
2.6768 11
2.7007 17
2.6566 23
20 O 3.432 6
2.6648 7
2.6551 8
2.6789 9
2.6648 7
2.6551 8
2.6789 9
21 O 3.432 8
2.6901 15
2.6487 10
2.6614 11
1.3792 23
2.6901 15
2.6487 10
2.6614 11
1.3792 23
22 H(2)O,H(2)O 3.6 7
3.5884 14
3.332 16
3.1676 17
2.8853 31
3.332 16
3.1676 17
2.8853 31
23 H(2)O,H(2)O 3.6 11
3.0949 10
1.7789 11
2.8423 17
3.3612 18
2.8217 15
1.3792 21
3.1266 10
2.5802 23
2.6108 15
3.1861 18
2.6566 19
24 H(2)O,H(2)O 3.6 7
3.1532 12
3.51 16
2.4697 30
1.7992 31
3.3841 7
2.1133 32
3.51 16
25 H(2)O,H(2)O 3.6 7
3.1513 9
3.0818 10
3.3384 26
1.843 28
2.6164 30
2.6964 32
3.5507 25
26 H(2)O,H(2)O 3.6 10
3.1871 8
2.9987 13
3.3384 25
2.7469 28
2.5015 29
3.1871 8
3.3384 25
2.7469 28
2.5015 29
3.5697 26
27 H(2)O,H(2)O 3.6 10
3.1419 11
2.9721 14
2.3602 28
2.9489 29
3.1419 11
2.3602 28
2.9489 29
2.2649 27
2.8389 29
2.8389 29
28 H(2)O,H(2)O 3.6 9
3.5374 9
2.9125 10
2.9374 11
1.843 25
2.7469 26
2.3602 27
2.8892 29
2.2745 28
3.5093 29
29 H(2)O,H(2)O 3.6 12
2.961 8
3.5143 9
3.29 13
3.2313 15
2.5015 26
2.9489 27
2.8892 28
3.5093 28
1.7443 29
3.5282 14
2.8389 27
3.3654 11
30 H(2)O,H(2)O 3.6 6
2.4697 24
2.6164 25
2.1194 31
2.3949 32
3.4247 32
2.6164 25
31 H(2)O,H(2)O 3.6 7
2.7456 12
3.1552 16
2.8853 22
1.7992 24
2.1194 30
2.8853 22
3.1552 16
32 H(2)O,H(2)O 3.6 8
2.9414 7
3.284 9
2.6964 25
2.3949 30
2.1133 24
3.4247 30
3.284 9
2.6964 25
X-ray diffraction powder data (II), X-Ray W.L. = 1.54056(angs.):
No H K L Theta 2*Theta S LPG MF F I int.
( degree ) *100
1 0 2 0 3.712 7.423 0.042 474.27 2 657.4 1079.3
2 0 1 1 3.919 7.837 0.044 425.26 4 672.1 2022.6
3 1 0 1 4.084 8.167 0.046 391.38 4 438.2 791.4
4 2 0 0 4.366 8.732 0.049 342.1 2 486.7 426.7
5 1 2 1 5.523 11.045 0.062 212.96 8 125.6 70.8
6 2 2 0 5.735 11.47 0.065 197.3 4 206.0 88.1
7 2 1 1 5.872 11.744 0.066 188.13 8 70.6 19.8
8 0 3 1 6.56 13.12 0.074 150.28 4 365.4 211.2
9 0 0 2 6.914 13.827 0.078 135.06 2 59.9 2.6
10 3 0 1 7.417 14.833 0.084 117.07 4 333.8 137.3
11 0 4 0 7.439 14.878 0.084 116.36 2 155.8 14.9
12 1 1 2 7.489 14.978 0.085 114.79 8 149.7 54.2
13 0 2 2 7.856 15.711 0.089 104.11 4 153.2 25.7
14 2 3 1 7.891 15.782 0.089 103.17 8 28.4 1.8
15 2 0 2 8.188 16.377 0.092 95.65 4 228.6 52.6
16 3 2 1 8.303 16.606 0.094 92.96 8 16.6 0.5
17 1 4 1 8.497 16.995 0.096 88.66 8 25.8 1.2
18 2 4 0 8.638 17.276 0.097 85.72 4 89.9 7.3
19 4 0 0 8.758 17.516 0.099 83.33 2 340.9 51.0
20 2 2 2 9.001 18.002 0.102 78.78 8 126.0 26.3
21 1 3 2 9.165 18.329 0.103 75.91 8 30.7 1.5
22 4 2 0 9.523 19.047 0.107 70.14 4 81.0 4.8
23 4 1 1 9.607 19.214 0.108 68.88 8 78.1 8.9
24 3 1 2 9.733 19.465 0.11 67.06 8 191.8 52.0
25 0 5 1 9.943 19.886 0.112 64.17 4 634.8 272.3
26 0 4 2 10.182 20.365 0.115 61.08 4 586.2 221.0
27 3 4 1 10.534 21.069 0.119 56.93 8 132.8 21.1
28 0 1 3 10.57 21.14 0.119 56.53 4 191.6 21.8
29 1 0 3 10.634 21.268 0.12 55.83 4 161.4 15.3
30 2 5 1 10.877 21.754 0.122 53.26 8 12.2 0.2
31 4 3 1 10.973 21.947 0.124 52.3 8 51.0 2.9
32 3 3 2 11.084 22.168 0.125 51.22 8 230.7 57.4
33 2 4 2 11.098 22.195 0.125 51.09 8 152.3 25.0
34 4 0 2 11.192 22.384 0.126 50.19 4 15.3 0.1
35 0 6 0 11.198 22.397 0.126 50.13 2 229.6 13.9
36 1 2 3 11.277 22.554 0.127 49.4 8 18.5 0.4
37 2 1 3 11.456 22.911 0.129 47.81 8 69.8 4.9
38 5 0 1 11.514 23.029 0.13 47.3 4 1054.0 553.4
39 4 4 0 11.529 23.058 0.13 47.18 4 21.7 0.2
40 4 2 2 11.806 23.613 0.133 44.89 8 17.7 0.3
41 0 3 3 11.83 23.661 0.133 44.7 4 349.1 57.4
42 1 5 2 11.845 23.689 0.133 44.59 8 63.2 3.7
43 1 6 1 11.938 23.876 0.134 43.86 8 74.7 5.1
44 2 6 0 12.04 24.08 0.135 43.09 4 297.7 40.2
45 5 2 1 12.113 24.227 0.136 42.54 8 239.2 51.3
46 3 0 3 12.336 24.672 0.139 40.95 4 671.5 194.4
47 2 3 3 12.632 25.265 0.142 38.95 8 195.6 31.4
48 3 2 3 12.899 25.798 0.145 37.27 8 109.2 9.4
49 1 4 3 13.028 26.055 0.146 36.5 8 177.4 24.2
50 5 1 2 13.151 26.301 0.148 35.78 8 422.4 134.4
51 6 0 0 13.202 26.404 0.148 35.49 2 307.3 17.6
52 0 6 2 13.208 26.416 0.148 35.46 4 925.8 320.1
53 4 5 1 13.309 26.619 0.149 34.89 8 52.7 2.0
54 3 5 2 13.402 26.804 0.15 34.38 8 230.3 38.4
55 3 6 1 13.485 26.97 0.151 33.93 8 219.7 34.5
56 4 4 2 13.492 26.985 0.151 33.89 8 63.8 2.9
57 0 7 1 13.558 27.116 0.152 33.55 4 58.6 1.2
58 6 2 0 13.732 27.465 0.154 32.65 4 94.0 3.0
59 5 4 1 13.764 27.528 0.154 32.49 8 27.8 0.5
60 6 1 1 13.792 27.584 0.155 32.35 8 76.9 4.0
61 4 1 3 13.792 27.584 0.155 32.35 8 26.5 0.5
62 0 0 4 13.931 27.862 0.156 31.67 2 186.4 5.8
63 2 6 2 13.936 27.872 0.156 31.65 8 251.3 42.1
64 0 5 3 14.033 28.065 0.157 31.18 4 275.0 24.8
65 5 3 2 14.196 28.392 0.159 30.42 8 144.6 13.4
66 1 1 4 14.234 28.468 0.16 30.25 8 13.7 0.1
67 2 7 1 14.269 28.539 0.16 30.09 8 9.2 0.1
68 4 6 0 14.287 28.574 0.16 30.01 4 3.2 0.0
69 0 2 4 14.436 28.872 0.162 29.36 4 43.5 0.6
70 3 4 3 14.466 28.933 0.162 29.22 8 189.1 22.0
71 2 0 4 14.626 29.251 0.164 28.55 4 172.9 9.0
72 2 5 3 14.723 29.446 0.165 28.15 8 90.4 4.8
73 6 3 1 14.795 29.591 0.166 27.85 8 38.1 0.9
74 4 3 3 14.796 29.591 0.166 27.85 8 32.7 0.6
75 6 0 2 14.961 29.923 0.168 27.2 4 7.5 0.0
76 0 8 0 15.007 30.014 0.168 27.02 2 643.4 58.9
77 1 7 2 15.033 30.066 0.168 26.92 8 13.7 0.1
78 2 2 4 15.11 30.219 0.169 26.63 8 53.9 1.6
79 5 0 3 15.209 30.419 0.17 26.25 4 401.2 44.5
80 1 3 4 15.211 30.422 0.17 26.25 8 144.2 11.5
81 6 4 0 15.22 30.441 0.17 26.21 4 1.0 0.0
82 6 2 2 15.436 30.872 0.173 25.43 8 22.0 0.3
83 1 6 3 15.539 31.078 0.174 25.07 8 244.5 31.6
84 3 1 4 15.57 31.14 0.174 24.96 8 204.5 22.0
85 1 8 1 15.578 31.156 0.174 24.94 8 85.9 3.9
86 2 8 0 15.658 31.316 0.175 24.66 4 146.1 5.5
87 5 2 3 15.677 31.354 0.175 24.6 8 30.8 0.5
88 7 0 1 15.853 31.706 0.177 24.01 4 117.7 3.5
89 0 4 4 15.864 31.728 0.177 23.98 4 375.1 35.5
90 4 6 2 15.936 31.873 0.178 23.74 8 74.3 2.8
91 5 5 2 16.1 32.2 0.18 23.22 8 185.3 16.8
92 5 6 1 16.171 32.341 0.181 23.01 8 67.5 2.2
93 4 7 1 16.233 32.465 0.181 22.82 8 19.4 0.2
94 7 2 1 16.304 32.608 0.182 22.6 8 90.9 3.9
95 3 7 2 16.31 32.619 0.182 22.58 8 31.9 0.5
96 3 3 4 16.475 32.951 0.184 22.1 8 69.5 2.2
97 2 4 4 16.485 32.969 0.184 22.07 8 97.3 4.4
98 4 0 4 16.55 33.101 0.185 21.88 4 98.5 2.2
99 0 8 2 16.592 33.184 0.185 21.76 4 9.1 0.0
100 6 5 1 16.637 33.275 0.186 21.63 8 62.6 1.8
101 4 5 3 16.638 33.275 0.186 21.63 8 1.4 0.0
102 3 6 3 16.781 33.563 0.187 21.23 8 217.8 21.2
103 6 4 2 16.787 33.574 0.187 21.21 8 64.8 1.9
104 3 8 1 16.818 33.636 0.188 21.13 8 17.2 0.1
105 0 7 3 16.841 33.682 0.188 21.07 4 7.9 0.0
106 4 2 4 16.985 33.97 0.19 20.68 8 31.1 0.4
107 5 4 3 17.011 34.022 0.19 20.61 8 434.6 82.0
108 1 5 4 17.012 34.024 0.19 20.61 8 81.1 2.9
109 6 1 3 17.034 34.068 0.19 20.55 8 30.0 0.4
110 7 1 2 17.108 34.215 0.191 20.36 8 30.1 0.4
111 2 8 2 17.189 34.378 0.192 20.15 8 64.1 1.7
112 0 9 1 17.305 34.61 0.193 19.86 4 550.1 63.3
113 2 7 3 17.431 34.862 0.194 19.54 8 44.7 0.8
114 6 6 0 17.445 34.891 0.195 19.51 4 14.7 0.0
115 4 8 0 17.481 34.962 0.195 19.42 4 17.4 0.1
116 7 4 1 17.596 35.191 0.196 19.15 8 144.9 8.5
117 0 1 5 17.618 35.236 0.196 19.09 4 50.1 0.5
118 1 0 5 17.658 35.316 0.197 19.0 4 24.0 0.1
119 8 0 0 17.729 35.458 0.198 18.83 2 356.4 12.6
120 6 3 3 17.873 35.746 0.199 18.5 8 67.8 1.8
121 2 9 1 17.881 35.763 0.199 18.48 8 37.2 0.5
122 7 3 2 17.944 35.888 0.2 18.34 8 165.3 10.6
123 5 1 4 17.975 35.949 0.2 18.27 8 17.5 0.1
124 0 6 4 18.018 36.036 0.201 18.18 4 183.4 6.4
125 1 2 5 18.069 36.138 0.201 18.07 8 0.7 0.0
126 8 2 0 18.139 36.278 0.202 17.91 4 23.2 0.1
127 3 5 4 18.165 36.33 0.202 17.86 8 150.2 8.5
128 8 1 1 18.185 36.371 0.203 17.81 8 113.3 4.8
129 2 1 5 18.186 36.372 0.203 17.81 8 97.6 3.6
130 4 4 4 18.234 36.468 0.203 17.71 8 72.9 2.0
131 0 3 5 18.434 36.868 0.205 17.29 4 439.5 35.2
132 1 9 2 18.511 37.022 0.206 17.13 8 67.1 1.6
133 1 8 3 18.54 37.08 0.206 17.07 8 5.5 0.0
134 2 6 4 18.575 37.15 0.207 17.0 8 74.3 2.0
135 5 7 2 18.63 37.259 0.207 16.89 8 121.7 5.3
136 7 0 3 18.776 37.552 0.209 16.6 4 241.7 10.2
137 3 0 5 18.776 37.553 0.209 16.6 4 150.6 4.0
138 5 3 4 18.777 37.554 0.209 16.6 8 192.5 12.9
139 6 6 2 18.848 37.696 0.21 16.46 8 102.1 3.6
140 4 8 2 18.881 37.763 0.21 16.4 8 1.5 0.0
141 0 10 0 18.885 37.771 0.21 16.39 2 131.3 1.5
142 8 3 1 18.98 37.961 0.211 16.21 8 115.7 4.6
143 2 3 5 18.981 37.962 0.211 16.21 8 161.7 8.9
144 5 6 3 19.051 38.102 0.212 16.08 8 295.1 29.5
145 5 8 1 19.084 38.167 0.212 16.02 8 173.1 10.1
146 6 7 1 19.104 38.209 0.212 15.98 8 13.9 0.1
147 4 7 3 19.105 38.209 0.212 15.98 8 18.1 0.1
148 8 0 2 19.114 38.228 0.213 15.96 4 22.8 0.1
149 7 2 3 19.167 38.333 0.213 15.86 8 69.2 1.6
150 3 2 5 19.167 38.334 0.213 15.86 8 16.7 0.1
151 1 4 5 19.257 38.515 0.214 15.7 8 11.2 0.0
152 8 4 0 19.323 38.647 0.215 15.58 4 252.1 10.4
153 1 10 1 19.355 38.709 0.215 15.53 8 6.6 0.0
154 6 0 4 19.381 38.762 0.215 15.48 4 11.7 0.0
155 2 10 0 19.421 38.842 0.216 15.41 4 15.2 0.0
156 1 7 4 19.438 38.876 0.216 15.38 8 40.7 0.5
157 6 5 3 19.457 38.914 0.216 15.35 8 74.3 1.8
158 8 2 2 19.499 38.997 0.217 15.27 8 5.5 0.0
159 4 9 1 19.522 39.043 0.217 15.23 8 29.0 0.3
160 7 5 2 19.523 39.046 0.217 15.23 8 89.2 2.6
161 7 6 1 19.583 39.165 0.218 15.13 8 208.6 13.9
162 3 9 2 19.588 39.175 0.218 15.12 8 93.9 2.8
163 3 8 3 19.615 39.23 0.218 15.07 8 172.5 9.5
164 6 2 4 19.761 39.523 0.219 14.83 8 10.1 0.0
165 4 1 5 19.805 39.609 0.22 14.75 8 26.3 0.2
166 0 5 5 19.98 39.96 0.222 14.47 4 114.0 2.0
167 0 9 3 20.043 40.086 0.222 14.37 4 377.8 21.6
168 4 6 4 20.167 40.334 0.224 14.17 8 33.8 0.3
169 6 8 0 20.198 40.397 0.224 14.12 4 71.3 0.8
170 0 10 2 20.202 40.404 0.224 14.12 4 8.7 0.0
171 7 4 3 20.3 40.6 0.225 13.97 8 20.1 0.1
172 3 4 5 20.3 40.6 0.225 13.96 8 98.9 2.9
173 5 5 4 20.301 40.602 0.225 13.96 8 83.3 2.0
174 9 0 1 20.355 40.709 0.226 13.88 4 160.6 3.8
175 3 10 1 20.393 40.787 0.226 13.82 8 103.5 3.1
176 3 7 4 20.473 40.946 0.227 13.7 8 4.7 0.0
177 8 5 1 20.491 40.983 0.227 13.68 8 19.5 0.1
178 2 5 5 20.492 40.983 0.227 13.68 8 20.5 0.1
179 4 3 5 20.546 41.092 0.228 13.59 8 26.5 0.2
180 2 9 3 20.553 41.107 0.228 13.58 8 3.3 0.0
181 8 4 2 20.617 41.233 0.229 13.49 8 47.7 0.6
182 0 8 4 20.706 41.411 0.23 13.36 4 115.8 1.9
183 2 10 2 20.709 41.418 0.23 13.36 8 52.4 0.8
184 9 2 1 20.72 41.44 0.23 13.34 8 42.4 0.5
185 8 1 3 20.824 41.649 0.231 13.19 8 99.1 2.7
186 5 0 5 20.859 41.718 0.231 13.14 4 254.5 9.0
187 6 4 4 20.868 41.735 0.231 13.13 8 64.1 1.1
188 4 10 0 20.959 41.918 0.232 13.0 4 84.7 1.0
189 1 6 5 21.111 42.222 0.234 12.79 8 34.8 0.3
190 7 1 4 21.135 42.27 0.234 12.76 8 103.9 2.9
191 0 11 1 21.167 42.335 0.234 12.72 4 435.2 25.4
192 0 0 6 21.169 42.339 0.234 12.72 2 162.1 1.8
193 8 6 0 21.172 42.345 0.234 12.71 4 157.6 3.3
194 2 8 4 21.203 42.406 0.235 12.67 8 120.8 3.9
195 5 2 5 21.217 42.435 0.235 12.65 8 103.0 2.8
196 9 1 2 21.38 42.761 0.237 12.44 8 31.5 0.3
197 1 1 6 21.381 42.762 0.237 12.44 8 20.9 0.1
198 6 8 2 21.448 42.895 0.237 12.35 8 27.7 0.2
199 0 2 6 21.523 43.047 0.238 12.25 4 10.2 0.0
200 8 3 3 21.537 43.074 0.238 12.23 8 183.0 8.6
201 5 9 2 21.605 43.21 0.239 12.15 8 13.6 0.0
202 5 8 3 21.63 43.26 0.239 12.12 8 45.5 0.5
203 6 7 3 21.649 43.298 0.239 12.09 8 8.2 0.0
204 2 11 1 21.656 43.312 0.24 12.08 8 0.9 0.0
205 2 0 6 21.658 43.316 0.24 12.08 4 62.5 0.5
206 7 7 2 21.709 43.418 0.24 12.02 8 46.4 0.5
207 9 4 1 21.786 43.572 0.241 11.92 8 26.7 0.2
208 7 3 4 21.839 43.679 0.241 11.86 8 115.2 3.3
209 1 10 3 21.875 43.75 0.242 11.81 8 14.3 0.1
210 4 5 5 21.968 43.935 0.243 11.7 8 84.4 1.8
211 2 2 6 22.006 44.011 0.243 11.66 8 5.7 0.0
212 6 9 1 22.026 44.052 0.243 11.63 8 50.4 0.6
213 4 9 3 22.026 44.052 0.243 11.63 8 140.0 4.8
214 9 3 2 22.078 44.157 0.244 11.57 8 39.2 0.4
215 1 3 6 22.079 44.158 0.244 11.57 8 130.6 4.2
216 7 6 3 22.081 44.162 0.244 11.57 8 60.8 0.9
217 3 6 5 22.081 44.163 0.244 11.57 8 302.3 22.3
218 7 8 1 22.11 44.221 0.244 11.53 8 45.5 0.5
219 0 7 5 22.129 44.258 0.245 11.51 4 154.1 2.9
220 4 10 2 22.173 44.347 0.245 11.46 8 18.7 0.1
221 1 11 2 22.195 44.39 0.245 11.43 8 68.2 1.1
222 5 4 5 22.264 44.528 0.246 11.35 8 0.8 0.0
223 6 1 5 22.283 44.565 0.246 11.33 8 20.6 0.1
224 1 9 4 22.323 44.646 0.247 11.29 8 127.8 3.9
225 3 1 6 22.342 44.684 0.247 11.26 8 6.9 0.0
226 5 10 1 22.351 44.702 0.247 11.25 8 128.5 3.9
227 10 0 0 22.374 44.748 0.247 11.23 2 1007.3 60.0
228 8 6 2 22.377 44.755 0.247 11.22 8 70.2 1.2
229 5 7 4 22.425 44.849 0.248 11.17 8 35.8 0.3
230 0 4 6 22.559 45.118 0.249 11.02 4 291.7 9.9
231 8 7 1 22.6 45.201 0.249 10.98 8 58.0 0.8
232 2 7 5 22.601 45.202 0.249 10.98 8 99.5 2.3
233 6 6 4 22.612 45.225 0.25 10.96 8 9.6 0.0
234 4 8 4 22.641 45.282 0.25 10.93 8 20.9 0.1
235 10 2 0 22.713 45.426 0.251 10.85 4 227.4 5.9
236 10 1 1 22.751 45.503 0.251 10.81 8 195.5 8.7
237 9 0 3 22.784 45.568 0.251 10.78 4 30.2 0.1
238 3 10 3 22.819 45.638 0.252 10.74 8 73.9 1.2
239 8 0 4 22.842 45.684 0.252 10.72 4 652.3 48.0
240 0 12 0 22.856 45.711 0.252 10.7 2 456.2 11.7
241 8 5 3 22.909 45.817 0.253 10.64 8 247.3 13.7
242 6 3 5 22.959 45.918 0.253 10.59 8 55.3 0.7
243 3 3 6 23.017 46.033 0.254 10.53 8 146.4 4.8
244 2 4 6 23.024 46.048 0.254 10.52 8 5.1 0.0
245 4 11 1 23.072 46.143 0.254 10.48 8 39.0 0.3
246 4 0 6 23.073 46.147 0.254 10.47 4 53.3 0.3
247 9 2 3 23.118 46.236 0.255 10.43 8 5.4 0.0
248 3 11 2 23.129 46.258 0.255 10.42 8 89.5 1.8
249 8 2 4 23.176 46.351 0.255 10.37 8 129.0 3.6
250 7 5 4 23.197 46.394 0.256 10.35 8 14.5 0.0
251 3 9 4 23.253 46.506 0.256 10.29 8 469.1 47.7
252 1 12 1 23.259 46.517 0.256 10.29 8 117.8 3.0
253 2 12 0 23.316 46.632 0.257 10.23 4 131.8 1.9
254 6 10 0 23.337 46.674 0.257 10.21 4 13.1 0.0
255 4 2 6 23.405 46.809 0.258 10.14 8 30.9 0.2
256 10 3 1 23.417 46.834 0.258 10.13 8 87.1 1.6
257 9 5 2 23.425 46.85 0.258 10.12 8 1.6 0.0
258 1 5 6 23.426 46.851 0.258 10.12 8 16.2 0.1
259 9 6 1 23.477 46.953 0.259 10.07 8 47.0 0.5
260 1 8 5 23.505 47.01 0.259 10.04 8 15.6 0.1
261 0 11 3 23.529 47.058 0.259 10.02 4 117.6 1.5
262 10 0 2 23.53 47.06 0.259 10.02 4 135.0 1.9
263 8 8 0 23.561 47.122 0.259 9.99 4 22.4 0.1
264 7 0 5 23.7 47.4 0.261 9.86 4 42.0 0.2
265 10 4 0 23.707 47.415 0.261 9.85 4 60.8 0.4
266 0 10 4 23.79 47.581 0.262 9.77 4 156.9 2.5
267 10 2 2 23.856 47.712 0.263 9.71 8 48.1 0.5
268 5 6 5 23.928 47.856 0.263 9.64 8 104.6 2.2
269 4 7 5 23.973 47.945 0.264 9.6 8 15.9 0.1
270 2 11 3 23.979 47.958 0.264 9.6 8 23.9 0.1
271 0 12 2 23.994 47.987 0.264 9.59 4 344.8 12.0
272 7 2 5 24.024 48.049 0.264 9.56 8 18.3 0.1
273 9 4 3 24.1 48.199 0.265 9.49 8 40.0 0.3
274 8 4 4 24.155 48.311 0.266 9.44 8 160.2 5.1
275 3 12 1 24.161 48.321 0.266 9.44 8 74.6 1.1
276 5 1 6 24.173 48.346 0.266 9.42 8 4.3 0.0
277 0 6 6 24.207 48.414 0.266 9.39 4 254.5 6.4
278 2 10 4 24.237 48.474 0.266 9.37 8 79.5 1.2
279 6 5 5 24.267 48.535 0.267 9.34 8 30.0 0.2
280 6 9 3 24.321 48.643 0.267 9.29 8 51.8 0.5
281 3 5 6 24.323 48.646 0.267 9.29 8 261.9 13.4
282 7 9 2 24.377 48.753 0.268 9.25 8 39.8 0.3
283 4 4 6 24.377 48.755 0.268 9.25 8 54.1 0.6
284 7 8 3 24.4 48.799 0.268 9.23 8 71.0 1.0
285 3 8 5 24.4 48.8 0.268 9.23 8 63.7 0.8
286 2 12 2 24.437 48.875 0.269 9.19 8 198.9 7.7
287 6 10 2 24.458 48.916 0.269 9.18 8 24.6 0.1
288 5 10 3 24.623 49.246 0.27 9.04 8 47.4 0.4
289 2 6 6 24.648 49.296 0.271 9.02 8 58.7 0.7
290 4 12 0 24.657 49.314 0.271 9.01 4 26.5 0.1
291 8 8 2 24.674 49.348 0.271 8.99 8 0.0 0.0
292 10 5 1 24.707 49.414 0.271 8.97 8 136.1 3.5
293 0 9 5 24.761 49.522 0.272 8.92 4 57.1 0.3
294 5 3 6 24.809 49.619 0.272 8.88 8 160.9 4.8
295 10 4 2 24.815 49.631 0.272 8.88 8 206.3 8.0
296 9 1 4 24.832 49.665 0.273 8.86 8 9.6 0.0
297 8 7 3 24.855 49.71 0.273 8.85 8 60.1 0.7
298 6 8 4 24.893 49.785 0.273 8.82 8 38.5 0.3
299 5 11 2 24.916 49.831 0.273 8.8 8 93.1 1.6
300 7 4 5 24.979 49.958 0.274 8.75 8 33.5 0.2
301 10 1 3 24.995 49.991 0.274 8.73 8 130.2 3.1
302 0 1 7 24.996 49.992 0.274 8.73 4 301.9 8.4
303 11 0 1 25.025 50.05 0.275 8.71 4 103.8 1.0
304 1 0 7 25.026 50.052 0.275 8.71 4 130.9 1.6
305 5 9 4 25.033 50.065 0.275 8.7 8 410.1 30.8
306 7 10 1 25.058 50.116 0.275 8.68 8 40.3 0.3
307 7 7 4 25.126 50.252 0.276 8.63 8 76.3 1.1
308 0 13 1 25.154 50.309 0.276 8.61 4 33.8 0.1
309 8 9 1 25.194 50.389 0.276 8.58 8 87.8 1.4
310 2 9 5 25.195 50.39 0.276 8.58 8 176.8 5.6
311 6 11 1 25.294 50.587 0.277 8.5 8 43.6 0.3
312 4 11 3 25.294 50.588 0.277 8.5 8 63.8 0.7
313 6 0 6 25.295 50.591 0.277 8.5 4 74.6 0.5
314 10 6 0 25.298 50.596 0.277 8.5 4 72.8 0.5
315 11 2 1 25.337 50.674 0.278 8.47 8 48.4 0.4
316 1 2 7 25.338 50.675 0.278 8.47 8 8.1 0.0
317 9 7 2 25.341 50.682 0.278 8.47 8 22.9 0.1
318 1 7 6 25.342 50.683 0.278 8.46 8 51.6 0.5
319 8 1 5 25.426 50.853 0.279 8.4 8 312.3 17.3
320 2 1 7 25.427 50.854 0.279 8.4 8 67.6 0.8
321 9 3 4 25.457 50.913 0.279 8.38 8 40.1 0.3
322 1 12 3 25.469 50.937 0.279 8.37 8 53.2 0.5
323 4 10 4 25.542 51.084 0.28 8.31 8 34.2 0.2
324 1 11 4 25.562 51.123 0.28 8.3 8 44.7 0.3
325 2 13 1 25.583 51.167 0.28 8.28 8 36.2 0.2
326 6 2 6 25.605 51.21 0.281 8.27 8 19.8 0.1
327 10 3 3 25.617 51.233 0.281 8.26 8 50.6 0.4
328 0 3 7 25.617 51.235 0.281 8.26 4 203.5 3.6
329 9 6 3 25.672 51.344 0.281 8.22 8 11.8 0.0
330 9 8 1 25.698 51.396 0.281 8.2 8 15.2 0.0
331 8 6 4 25.725 51.451 0.282 8.18 8 161.3 4.5
332 4 12 2 25.735 51.47 0.282 8.17 8 9.7 0.0
333 3 0 7 25.882 51.763 0.283 8.07 4 40.1 0.1
334 5 12 1 25.894 51.787 0.283 8.06 8 162.0 4.5
335 11 1 2 25.905 51.809 0.284 8.05 8 7.3 0.0
336 4 6 6 25.937 51.875 0.284 8.03 8 21.7 0.1
337 8 3 5 26.04 52.081 0.285 7.96 8 112.8 2.1
338 2 3 7 26.041 52.081 0.285 7.96 8 186.3 5.8
339 5 5 6 26.048 52.095 0.285 7.95 8 107.8 1.9
340 1 13 2 26.06 52.12 0.285 7.94 8 23.2 0.1
341 5 8 5 26.121 52.242 0.286 7.9 8 9.0 0.0
342 6 7 5 26.137 52.274 0.286 7.89 8 43.4 0.3
343 3 2 7 26.186 52.372 0.286 7.86 8 45.1 0.3
344 3 7 6 26.19 52.38 0.286 7.85 8 19.2 0.1
345 11 4 1 26.256 52.512 0.287 7.81 8 35.3 0.2
346 1 4 7 26.257 52.514 0.287 7.81 8 82.6 1.1
347 3 12 3 26.314 52.628 0.288 7.77 8 67.0 0.7
348 1 10 5 26.334 52.667 0.288 7.76 8 117.5 2.3
349 10 6 2 26.357 52.713 0.288 7.74 8 235.2 9.0
350 0 8 6 26.383 52.766 0.288 7.72 4 57.6 0.3
351 8 10 0 26.385 52.771 0.288 7.72 4 32.3 0.1
352 3 11 4 26.405 52.81 0.289 7.71 8 234.0 8.9
353 4 9 5 26.465 52.93 0.289 7.67 8 73.2 0.9
354 11 3 2 26.511 53.021 0.29 7.64 8 55.4 0.5
355 7 6 5 26.513 53.026 0.29 7.64 8 76.5 0.9
356 6 4 6 26.517 53.035 0.29 7.63 8 33.9 0.2
357 10 7 1 26.554 53.109 0.29 7.61 8 43.0 0.3
358 9 5 4 26.673 53.347 0.291 7.53 8 78.4 1.0
359 4 1 7 26.689 53.378 0.292 7.52 8 3.0 0.0
360 7 1 6 26.741 53.481 0.292 7.49 8 126.3 2.5
361 10 0 4 26.769 53.538 0.292 7.47 4 297.4 7.0
362 6 12 0 26.781 53.562 0.292 7.46 4 41.6 0.1
363 2 8 6 26.798 53.595 0.293 7.45 8 6.5 0.0
364 10 5 3 26.828 53.656 0.293 7.43 8 53.4 0.4
365 0 5 7 26.829 53.658 0.293 7.43 4 146.2 1.7
366 4 13 1 26.84 53.681 0.293 7.43 8 6.7 0.0
367 3 13 2 26.892 53.784 0.294 7.39 8 31.8 0.2
368 0 14 0 26.946 53.891 0.294 7.36 2 370.9 5.3
369 10 2 4 27.066 54.133 0.295 7.29 8 49.4 0.4
370 3 4 7 27.085 54.17 0.296 7.27 8 110.8 1.9
371 11 0 3 27.128 54.257 0.296 7.25 4 20.2 0.0
372 9 0 5 27.129 54.257 0.296 7.25 4 101.4 0.8
373 7 10 3 27.16 54.319 0.296 7.23 8 124.4 2.4
374 3 10 5 27.16 54.32 0.296 7.23 8 89.9 1.2
375 12 0 0 27.179 54.359 0.297 7.22 2 17.6 0.0
376 0 12 4 27.192 54.384 0.297 7.21 4 236.4 4.2
377 8 5 5 27.239 54.477 0.297 7.18 8 186.4 5.3
378 2 5 7 27.239 54.478 0.297 7.18 8 122.1 2.3
379 0 13 3 27.251 54.501 0.297 7.17 4 51.8 0.2
380 4 3 7 27.283 54.566 0.298 7.15 8 11.7 0.0
381 8 9 3 27.288 54.577 0.298 7.15 8 89.6 1.2
382 1 14 1 27.304 54.607 0.298 7.14 8 27.8 0.1
383 7 3 6 27.334 54.667 0.298 7.12 8 120.6 2.2
384 2 14 0 27.354 54.709 0.298 7.11 4 94.4 0.7
385 6 11 3 27.382 54.764 0.299 7.1 8 1.8 0.0
386 10 8 0 27.411 54.822 0.299 7.08 4 178.2 2.4
387 8 10 2 27.414 54.828 0.299 7.08 8 258.8 10.0
388 11 2 3 27.423 54.846 0.299 7.07 8 4.8 0.0
389 9 2 5 27.423 54.847 0.299 7.07 8 47.7 0.3
390 7 11 2 27.433 54.866 0.299 7.07 8 19.2 0.1
391 12 2 0 27.474 54.948 0.299 7.04 4 123.4 1.1
392 12 1 1 27.507 55.015 0.3 7.02 8 65.0 0.6
393 5 0 7 27.536 55.072 0.3 7.01 4 153.1 1.7
394 7 9 4 27.542 55.085 0.3 7.0 8 182.7 4.9
395 2 12 4 27.598 55.196 0.301 6.97 8 128.7 2.4
396 6 10 4 27.617 55.234 0.301 6.96 8 11.5 0.0
397 2 13 3 27.656 55.313 0.301 6.94 8 21.1 0.1
398 11 5 2 27.695 55.389 0.302 6.92 8 26.7 0.1
399 11 6 1 27.74 55.481 0.302 6.89 8 68.1 0.7
400 1 6 7 27.741 55.482 0.302 6.89 8 93.4 1.3
401 9 9 2 27.744 55.488 0.302 6.89 8 144.4 3.0
402 1 9 6 27.745 55.489 0.302 6.89 8 77.8 0.9
403 9 8 3 27.765 55.53 0.302 6.88 8 4.2 0.0
404 0 11 5 27.787 55.574 0.303 6.86 4 67.1 0.3
405 6 12 2 27.8 55.6 0.303 6.86 8 55.4 0.4
406 8 8 4 27.816 55.631 0.303 6.85 8 150.1 3.3
407 5 2 7 27.828 55.656 0.303 6.84 8 35.4 0.2
408 5 7 6 27.831 55.663 0.303 6.84 8 126.2 2.3
409 10 4 4 27.946 55.891 0.304 6.78 8 178.2 4.5
410 5 12 3 27.951 55.901 0.304 6.77 8 171.4 4.2
411 0 14 2 27.96 55.921 0.304 6.77 4 684.0 33.3
412 6 6 6 27.992 55.984 0.305 6.75 8 4.0 0.0
413 4 8 6 28.017 56.033 0.305 6.74 8 1.9 0.0
414 5 11 4 28.038 56.075 0.305 6.72 8 53.8 0.4
415 12 3 1 28.089 56.179 0.306 6.7 8 163.6 3.8
416 3 14 1 28.11 56.221 0.306 6.69 8 123.6 2.1
417 8 11 1 28.187 56.375 0.307 6.64 8 28.7 0.1
418 2 11 5 28.188 56.375 0.307 6.64 8 95.4 1.3
419 12 0 2 28.188 56.377 0.307 6.64 4 312.9 6.8
420 8 0 6 28.189 56.378 0.307 6.64 4 477.5 16.0
421 11 4 3 28.295 56.59 0.308 6.59 8 21.0 0.1
422 9 4 5 28.295 56.59 0.308 6.59 8 2.5 0.0
423 12 4 0 28.345 56.689 0.308 6.56 4 230.6 3.7
424 7 12 1 28.35 56.699 0.308 6.56 8 135.0 2.5
425 2 14 2 28.359 56.719 0.308 6.55 8 175.7 4.3
426 9 10 1 28.368 56.736 0.308 6.55 8 89.4 1.1
427 10 8 2 28.415 56.829 0.309 6.52 8 55.2 0.4
428 9 7 4 28.43 56.86 0.309 6.52 8 8.3 0.0
429 4 5 7 28.445 56.89 0.309 6.51 8 21.9 0.1
430 12 2 2 28.476 56.952 0.309 6.49 8 112.8 1.7
431 8 2 6 28.476 56.953 0.309 6.49 8 31.1 0.1
432 6 9 5 28.493 56.987 0.31 6.48 8 2.4 0.0
433 7 5 6 28.495 56.989 0.31 6.48 8 40.1 0.2
434 5 13 2 28.506 57.012 0.31 6.48 8 11.4 0.0
435 3 6 7 28.54 57.079 0.31 6.46 8 30.9 0.1
436 3 9 6 28.543 57.086 0.31 6.46 8 67.9 0.6
437 4 14 0 28.557 57.115 0.31 6.45 4 5.6 0.0
438 7 8 5 28.564 57.127 0.31 6.45 8 33.3 0.2
439 10 7 3 28.579 57.157 0.311 6.44 8 60.6 0.5
440 0 7 7 28.579 57.158 0.311 6.44 4 208.0 2.9
441 5 4 7 28.692 57.383 0.312 6.38 8 335.9 15.2
442 6 1 7 28.707 57.413 0.312 6.38 8 5.4 0.0
443 5 10 5 28.764 57.527 0.312 6.35 8 355.5 16.9
444 0 0 8 28.783 57.567 0.313 6.34 2 316.0 3.3
445 4 12 4 28.794 57.589 0.313 6.33 8 36.8 0.2
446 6 13 1 28.851 57.702 0.313 6.3 8 17.4 0.0
447 4 13 3 28.851 57.702 0.313 6.3 8 6.1 0.0
448 10 9 1 28.887 57.775 0.314 6.29 8 68.8 0.6
449 11 1 4 28.952 57.904 0.314 6.25 8 34.7 0.2
450 1 1 8 28.953 57.905 0.314 6.25 8 119.7 1.9
451 8 7 5 28.972 57.945 0.314 6.24 8 17.1 0.0
452 2 7 7 28.973 57.945 0.314 6.24 8 99.5 1.3
453 0 10 6 29.009 58.018 0.315 6.23 4 433.9 12.3
454 0 2 8 29.067 58.134 0.315 6.2 4 43.7 0.1
455 1 13 4 29.096 58.192 0.316 6.18 8 38.9 0.2
456 10 1 5 29.099 58.198 0.316 6.18 8 15.8 0.0
457 2 0 8 29.175 58.35 0.316 6.15 4 9.2 0.0
458 12 5 1 29.23 58.461 0.317 6.12 8 102.7 1.4
459 6 3 7 29.273 58.546 0.317 6.1 8 90.2 1.0
460 0 15 1 29.29 58.58 0.318 6.09 4 481.2 14.9
461 1 14 3 29.293 58.586 0.318 6.09 8 165.2 3.5
462 12 4 2 29.327 58.654 0.318 6.08 8 73.9 0.7
463 8 4 6 29.328 58.655 0.318 6.07 8 243.8 7.6
464 4 11 5 29.368 58.736 0.318 6.06 8 2.8 0.0
465 10 6 4 29.372 58.744 0.318 6.05 8 89.6 1.0
466 2 10 6 29.399 58.798 0.319 6.04 8 74.1 0.7
467 11 7 2 29.411 58.821 0.319 6.04 8 5.5 0.0
468 2 2 8 29.456 58.913 0.319 6.02 8 2.8 0.0
469 12 1 3 29.488 58.975 0.32 6.0 8 49.3 0.3
470 11 3 4 29.515 59.031 0.32 5.99 8 59.4 0.4
471 1 3 8 29.516 59.032 0.32 5.99 8 28.4 0.1
472 1 12 5 29.526 59.053 0.32 5.98 8 65.9 0.5
473 4 14 2 29.536 59.071 0.32 5.98 8 72.7 0.7
474 8 12 0 29.574 59.149 0.32 5.96 4 121.5 0.9
475 10 3 5 29.66 59.321 0.321 5.92 8 163.3 3.3
476 2 15 1 29.677 59.355 0.321 5.92 8 31.8 0.1
477 5 14 1 29.68 59.361 0.321 5.91 8 18.5 0.0
478 11 6 3 29.711 59.421 0.322 5.9 8 47.4 0.3
479 9 6 5 29.711 59.422 0.322 5.9 8 41.1 0.2
480 3 1 8 29.73 59.46 0.322 5.89 8 20.6 0.1
481 11 8 1 29.734 59.468 0.322 5.89 8 15.8 0.0
482 1 8 7 29.735 59.47 0.322 5.89 8 46.8 0.3
483 12 6 0 29.759 59.517 0.322 5.88 4 381.6 9.0
484 3 13 4 29.871 59.742 0.323 5.83 8 3.3 0.0
485 13 0 1 29.9 59.8 0.324 5.82 4 220.5 3.0
486 7 0 7 29.901 59.802 0.324 5.82 4 109.8 0.7
487 0 4 8 29.908 59.815 0.324 5.81 4 162.1 1.6
488 9 1 6 29.922 59.844 0.324 5.81 8 13.9 0.0
489 6 8 6 29.975 59.95 0.324 5.78 8 37.6 0.2
490 10 10 0 29.977 59.955 0.324 5.78 4 157.8 1.5
X-ray diffraction powder data (I)...X-Ray wave length = 1.54056 (angs.):
No H K L Theta 2*Theta d I int I int.n. I p.h.n. H(Si)
( degree ) (angstrem) *100 *100
1 0 2 0 3.712 7.423 11.899 1079.3 53.4 53.4 5.5
2 0 1 1 3.919 7.837 11.27149 2022.6 100.0 100.0 5.6
3 1 0 1 4.084 8.167 10.81637 791.4 39.1 39.1 5.6
4 2 0 0 4.366 8.732 10.118 426.7 21.1 21.1 5.6
5 1 2 1 5.523 11.045 8.00377 70.8 3.5 3.5 5.6
6 2 2 0 5.735 11.47 7.70807 88.1 4.4 4.3 5.6
7 0 3 1 6.56 13.12 6.74249 211.2 10.4 10.4 5.6
8 3 0 1 7.417 14.833 5.96723 152.2 7.5 7.5 5.6
9 1 1 2 7.489 14.978 5.91008 54.2 2.7 2.7 5.6
10 0 2 2 7.856 15.711 5.63575 25.7 1.3 1.3 5.6
11 2 0 2 8.188 16.377 5.40819 52.6 2.6 2.6 5.6
12 4 0 0 8.758 17.516 5.059 51.0 2.5 2.5 5.6
13 2 2 2 9.001 18.002 4.9235 26.3 1.3 1.3 5.6
14 3 1 2 9.733 19.465 4.5565 52.0 2.6 2.6 5.6
15 0 5 1 9.943 19.886 4.46108 272.3 13.5 13.4 5.6
16 0 4 2 10.182 20.365 4.35718 221.0 10.9 10.8 5.6
17 3 4 1 10.534 21.069 4.21319 21.1 1.0 1.0 5.6
18 0 1 3 10.57 21.14 4.19907 21.8 1.1 1.1 5.6
19 3 3 2 11.084 22.168 4.00669 82.4 4.1 4.0 5.6
20 5 0 1 11.514 23.029 3.85884 553.6 27.4 27.1 5.6
21 0 3 3 11.83 23.661 3.75716 61.1 3.0 3.0 5.6
22 2 6 0 12.04 24.08 3.69274 40.2 2.0 2.0 5.6
23 5 2 1 12.113 24.227 3.67065 51.3 2.5 2.5 5.6
24 3 0 3 12.336 24.672 3.60546 194.4 9.6 9.5 5.6
25 2 3 3 12.632 25.265 3.52217 31.4 1.6 1.5 5.6
26 1 4 3 13.028 26.055 3.41709 24.2 1.2 1.2 5.6
27 5 1 2 13.151 26.301 3.38569 134.4 6.6 6.6 5.6
28 0 6 2 13.208 26.416 3.37124 337.7 16.7 16.5 5.6
29 3 5 2 13.402 26.804 3.32333 38.4 1.9 1.9 5.6
30 3 6 1 13.485 26.97 3.30321 37.4 1.8 1.8 5.6
31 2 6 2 13.936 27.872 3.19838 47.9 2.4 2.3 5.6
32 0 5 3 14.033 28.065 3.17674 24.8 1.2 1.2 5.6
33 3 4 3 14.466 28.933 3.08345 22.0 1.1 1.1 5.6
34 0 8 0 15.007 30.014 2.97475 59.0 2.9 2.9 5.6
35 5 0 3 15.209 30.419 2.93611 56.0 2.8 2.7 5.6
36 1 6 3 15.539 31.078 2.87532 31.6 1.6 1.5 5.6
37 3 1 4 15.57 31.14 2.86969 25.9 1.3 1.3 5.6
38 0 4 4 15.864 31.728 2.81787 39.0 1.9 1.9 5.6
39 3 6 3 16.781 33.563 2.66792 23.1 1.1 1.1 5.7
40 5 4 3 17.011 34.022 2.63294 85.2 4.2 4.1 5.7
41 0 9 1 17.305 34.61 2.58953 63.3 3.1 3.1 5.7
42 0 3 5 18.434 36.868 2.43593 35.2 1.7 1.7 5.7
43 5 3 4 18.777 37.554 2.393 27.1 1.3 1.3 5.7
44 5 6 3 19.051 38.102 2.35988 29.5 1.5 1.4 5.7
45 0 9 3 20.043 40.086 2.2475 21.6 1.1 1.0 5.7
46 0 11 1 21.167 42.335 2.13319 30.5 1.5 1.5 5.7
47 3 6 5 22.081 44.163 2.04903 27.3 1.4 1.3 5.7
48 10 0 0 22.374 44.748 2.0236 69.0 3.4 3.3 5.7
49 8 0 4 22.842 45.684 1.98428 61.0 3.0 2.9 5.7
50 3 9 4 23.253 46.506 1.9511 50.7 2.5 2.4 5.7
51 5 9 4 25.033 50.065 1.82041 32.4 1.6 1.5 5.7
52 0 14 2 27.96 55.921 1.64288 42.1 2.1 2.0 5.8
53 8 0 6 28.189 56.378 1.63064 24.1 1.2 1.1 5.8
54 5 10 5 28.764 57.527 1.60075 20.2 1.0 1.0 5.8
Reference:
Chichagov A.V. et al.
Information-Calculating System on Crystal Structure Data of Minerals
(MINCRYST)
- Kristallographiya, v.35, n.3, 1990, p.610-616 (in Russian)
|